SCHEMBL25802130

SCHEMBL25802130

C=C(Cc1nc(-c2ccc(I)cc2)no1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KLF5 Q13887 1/20 0.42
▸ TSHR P16473 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25802137 0.89 MAPT (0.50) SMN1; SMN2TSHRALDH1A1LMNAMAPT
SCHEMBL25807565 0.88 TP53 (0.42) TP53RAB9ASMN1; SMN2KLF5TSHR
SCHEMBL25801756 0.88 TSHR (0.55) RAB9ASMN1; SMN2TSHRNPC1CYP1A2
SCHEMBL25802125 0.88 MEN1 (0.46) TP53RAB9ASMN1; SMN2KLF5TSHR
SCHEMBL23578358 0.85 TP53 (0.40) TP53RAB9ASMN1; SMN2KLF5TSHR
SCHEMBL23588102 0.84 SPHK1 (0.48) TP53RAB9ASMN1; SMN2KLF5NPC1
SCHEMBL23588077 0.84 ACACB (0.52) TP53RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL25801975 0.84 TP53 (0.43) TP53RAB9ASMN1; SMN2KLF5TSHR
SCHEMBL23588271 0.83 SPHK1 (0.53) —
SCHEMBL25801979 0.83 S1PR4 (0.44) TP53RAB9ASMN1; SMN2KLF5TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 — — US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 — — US disclosed
EP-4081511-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2022-11-02 — — EP disclosed
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 — — CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 TP53 2221/4885RAB9A 1795/4885SMN1; SMN2 3151/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback